S-(7H-Purin-6-Yl) (2-Chloroethylamino)Methanethioate
[CAS# 104789-46-0]

Identification

• Name: S-(7H-Purin-6-Yl) (2-Chloroethylamino)Methanethioate
• Synonyms: (2-Chloroethylamino)Methanethioic Acid S-(7H-Purin-6-Yl) Ester; 6-(N-(2-Chloroethyl)Carbamoyl)Thio Purine; Ccris 7602
• Molecular Formula: C₈H₈ClN₅OS
• Molecular Weight: 257.70
• CAS Registry Number: 104789-46-0
• SMILES: C1=NC2=C([NH]1)C(=NC=N2)SC(=O)NCCCl
• InChI: 1S/C8H8ClN5OS/c9-1-2-10-8(15)16-7-5-6(12-3-11-5)13-4-14-7/h3-4H,1-2H2,(H,10,15)(H,11,12,13,14)
• InChIKey: OQBORDVFGPUGDV-UHFFFAOYSA-N

Properties

• Density: 1.59g/cm³ (Cal.)